General Information of the Compound
| Compound ID |
CP0464750
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| Compound Name |
methyl 1-[4-[(2-fluorobenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate
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| Structure |
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| Formula |
C30H27FN2O4
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| Molecular Weight |
498.554
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| Canonical SMILES |
COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C30H27FN2O4/c1-37-29(36)22-14-15-30(19-22)16-17-33(26-9-5-2-6-21(26)18-30)28(35)20-10-12-23(13-11-20)32-27(34)24-7-3-4-8-25(24)31/h2-13,19H,14-18H2,1H3,(H,32,34)
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| InChIKey |
IYAYQXCSVKOJEE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor